Matches any text strings used to describe a molecule.
Systematic Name, Synonym, Trade Name, Registry Number, SMILES, InChI or CSID

Systematic names 1,2-dihydroxybenzene
Synonyms AIBN
Trade names Aspirin
Registry numbers 7732-18-5
SMILES O=C(OCC)C
InChl InChI=1/CH4/h1H4
Search Hits Limit:
Single/Multi-component
Isotopically Labeled
Additional Filters

Found 16 results

Search term: DGBITFNXKQHKLI (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4513759

Double-bond stereo

0 of 13 defined stereocentres - 0/13 defined
InChI=1/C29H38O11/c1-15(30)16-7-5-6-8-20(32)37-18-11-19-29(14-36-29)27(18,4)28(10-9-25(2)21(39-25)22(28)38-19)13-35-24(33)23-26(3,40-23)17(31)12-34-16/h5-8,15-19,21-23,30-31H,9-14H2,1-4H3/b7-5-,8-6-
C29H38O11562.605471100
10293488

Double-bond stereo

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C29H38O11/c1-15(30)16-7-5-6-8-20(32)37-18-11-19-29(14-36-29)27(18,4)28(10-9-25(2)21(39-25)22(28)38-19)13-35-24(33)23-26(3,40-23)17(31)12-34-16/h5-8,15-19,21-23,30-31H,9-14H2,1-4H3/b7-5+,8-6-/t15-,16-,17+,18-,19-,21+,22-,23-,25-,26-,27-,28-,29+/m1/s1
C29H38O11562.60545600
10293489

Double-bond stereo

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C29H38O11/c1-15(30)16-7-5-6-8-20(32)37-18-11-19-29(14-36-29)27(18,4)28(10-9-25(2)21(39-25)22(28)38-19)13-35-24(33)23-26(3,40-23)17(31)12-34-16/h5-8,15-19,21-23,30-31H,9-14H2,1-4H3/b7-5+,8-6-/t15-,16+,17-,18+,19+,21-,22+,23+,25+,26+,27+,28+,29-/m0/s1
C29H38O11562.60545600
90286

Double-bond stereo

0 of 13 defined stereocentres - 0/13 defined
InChI=1/C29H38O11/c1-15(30)16-7-5-6-8-20(32)37-18-11-19-29(14-36-29)27(18,4)28(10-9-25(2)21(39-25)22(28)38-19)13-35-24(33)23-26(3,40-23)17(31)12-34-16/h5-8,15-19,21-23,30-31H,9-14H2,1-4H3
C29H38O11562.60545400
28497476

Double-bond stereo

11 of 13 defined stereocentres - 11/13 defined
InChI=1/C29H38O11/c1-15(30)16-7-5-6-8-20(32)37-18-11-19-29(14-36-29)27(18,4)28(10-9-25(2)21(39-25)22(28)38-19)13-35-24(33)23-26(3,40-23)17(31)12-34-16/h5-8,15-19,21-23,30-31H,9-14H2,1-4H3/b7-5+,8-6-/t15-,16-,17+,18-,19-,21+,22-,23-,25?,26-,27-,28?,29+/m1/s1
C29H38O11562.6054199999993300
30810300

Double-bond stereo

12 of 13 defined stereocentres - 12/13 defined
InChI=1/C29H38O11/c1-15(30)16-7-5-6-8-20(32)37-18-11-19-29(14-36-29)27(18,4)28(10-9-25(2)21(39-25)22(28)38-19)13-35-24(33)23-26(3,40-23)17(31)12-34-16/h5-8,15-19,21-23,30-31H,9-14H2,1-4H3/b7-5+,8-6-/t15-,16-,17+,18-,19-,21+,22-,23-,25?,26-,27-,28-,29+/m1/s1
C29H38O11562.6054199999992200
28431687

Double-bond stereo

12 of 13 defined stereocentres - 12/13 defined
InChI=1/C29H38O11/c1-15(30)16-7-5-6-8-20(32)37-18-11-19-29(14-36-29)27(18,4)28(10-9-25(2)21(39-25)22(28)38-19)13-35-24(33)23-26(3,40-23)17(31)12-34-16/h5-8,15-19,21-23,30-31H,9-14H2,1-4H3/b7-5+,8-6-/t15-,16+,17-,18+,19+,21-,22+,23+,25+,26+,27+,28?,29-/m0/s1
C29H38O11562.605422200
58827855

Double-bond stereo

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C29H38O11/c1-15(30)16-7-5-6-8-20(32)37-18-11-19-29(14-36-29)27(18,4)28(10-9-25(2)21(39-25)22(28)38-19)13-35-24(33)23-26(3,40-23)17(31)12-34-16/h5-8,15-19,21-23,30-31H,9-14H2,1-4H3/b7-5+,8-6?/t15-,16-,17+,18-,19-,21+,22-,23-,25-,26-,27-,28-,29+/m1/s1
C29H38O11562.60542200
58841958

Double-bond stereo

12 of 13 defined stereocentres - 12/13 defined
InChI=1/C29H38O11/c1-15(30)16-7-5-6-8-20(32)37-18-11-19-29(14-36-29)27(18,4)28(10-9-25(2)21(39-25)22(28)38-19)13-35-24(33)23-26(3,40-23)17(31)12-34-16/h5-8,15-19,21-23,30-31H,9-14H2,1-4H3/b7-5+,8-6-/t15-,16-,17+,18-,19-,21+,22-,23-,25?,26-,27-,28+,29+/m1/s1
C29H38O11562.60541100
58842597

Double-bond stereo

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C29H38O11/c1-15(30)16-7-5-6-8-20(32)37-18-11-19-29(14-36-29)27(18,4)28(10-9-25(2)21(39-25)22(28)38-19)13-35-24(33)23-26(3,40-23)17(31)12-34-16/h5-8,15-19,21-23,30-31H,9-14H2,1-4H3/b7-5+,8-6-/t15-,16+,17-,18+,19+,21-,22+,23+,25+,26+,27+,28-,29-/m0/s1
C29H38O11562.60541100
52084959

Double-bond stereo

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C29H38O11/c1-15(30)16-7-5-6-8-20(32)37-18-11-19-29(14-36-29)27(18,4)28(10-9-25(2)21(39-25)22(28)38-19)13-35-24(33)23-26(3,40-23)17(31)12-34-16/h5-8,15-19,21-23,30-31H,9-14H2,1-4H3/b7-5-,8-6-/t15-,16+,17-,18+,19+,21-,22+,23+,25+,26+,27+,28+,29-/m0/s1
C29H38O11562.60541100
52084960

Double-bond stereo

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C29H38O11/c1-15(30)16-7-5-6-8-20(32)37-18-11-19-29(14-36-29)27(18,4)28(10-9-25(2)21(39-25)22(28)38-19)13-35-24(33)23-26(3,40-23)17(31)12-34-16/h5-8,15-19,21-23,30-31H,9-14H2,1-4H3/b7-5-,8-6-/t15-,16-,17+,18-,19-,21+,22-,23-,25-,26-,27-,28-,29+/m1/s1
C29H38O11562.60541100
58172710

Double-bond stereo

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C29H38O11/c1-15(30)16-7-5-6-8-20(32)37-18-11-19-29(14-36-29)27(18,4)28(10-9-25(2)21(39-25)22(28)38-19)13-35-24(33)23-26(3,40-23)17(31)12-34-16/h5-8,15-19,21-23,30-31H,9-14H2,1-4H3/b7-5+,8-6?/t15-,16+,17-,18+,19+,21-,22+,23+,25+,26+,27+,28+,29-/m0/s1
C29H38O11562.60541100
21257925

Double-bond stereo

0 of 13 defined stereocentres - 0/13 defined
InChI=1/C29H38O11/c1-15(30)16-7-5-6-8-20(32)37-18-11-19-29(14-36-29)27(18,4)28(10-9-25(2)21(39-25)22(28)38-19)13-35-24(33)23-26(3,40-23)17(31)12-34-16/h5-8,15-19,21-23,30-31H,9-14H2,1-4H3/b7-5-,8-6+
C29H38O11562.60541100
23109835

Double-bond stereo

7 of 13 defined stereocentres - 7/13 defined
InChI=1/C29H38O11/c1-15(30)16-7-5-6-8-20(32)37-18-11-19-29(14-36-29)27(18,4)28(10-9-25(2)21(39-25)22(28)38-19)13-35-24(33)23-26(3,40-23)17(31)12-34-16/h5-8,15-19,21-23,30-31H,9-14H2,1-4H3/b7-5+,8-6-/t15?,16?,17?,18-,19-,21+,22-,23?,25-,26?,27-,28-,29?/m1/s1
C29H38O11562.60541100

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